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Role of Displacing Confined Solvent in the Conformational Equilibrium of β‑Cyclodextrin
This study investigates the role of hydration and its relationship to the conformational equilibrium of the host molecule β-cyclodextrin. Molecular dynamics simulations indicate that the unbound β-cyclodextrin exhibits two state behavior in explicit solvent due to the opening and closing of its cavi...
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| Gepubliceerd in: | J Phys Chem B |
|---|---|
| Hoofdauteurs: | , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2019
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7226916/ https://ncbi.nlm.nih.gov/pubmed/31509409 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.9b07028 |
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